QMCPACK / QMCPACK/qmcpack

Machine-readable output file

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#1,320 4 comments 0 reactions 0 assignees View on GitHub
discussion enhancement output_cleanup
Dominant language
C++
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403
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154
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1d 12h
Merged PRs (30d)
82

Description

There are several areas that would benefit from machine-readable output that is separate from the human-readable output.
- metadata for estimator postprocessing
- metadata for restart
- better for analysis tools (eg, twist averaging or multiple timesteps in the same run)

Any other requirements?

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